Chemical Properties of Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isobutyl ester

Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isobutyl ester

InChI
InChI=1S/C18H18ClNO3/c1-12(2)11-23-18(22)14-7-5-6-13(10-14)17(21)20-16-9-4-3-8-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChI Key
OWPLWPNWUAQDPP-UHFFFAOYSA-N
Formula
C18H18ClNO3
SMILES
CC(C)COC(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1
Molecular Weight1
331.80
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Physical Properties

Property Value Unit Source
ΔfusH° 41.42 kJ/mol Joback Calculated Property
IE 8.41 eV Relay (1.0) Calculated Property
log10WS -5.26 Relay (1.0) Calculated Property
logPoct/wat 4.405 Crippen Calculated Property
McVol 248.190 ml/mol McGowan Calculated Property
Inp [2773.00; 2773.00]   Show Hide
Inp 2773.00 NIST
Inp 2773.00 NIST
Tboil 659.30 K Relay (1.0) Calculated Property
Tfus 383.05 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [712.59; 768.47] J/mol×K [874.01; 1109.33] Show Hide
Cp,gas 712.59 J/mol×K 874.01 Joback Calculated Property
Cp,gas 724.88 J/mol×K 913.23 Joback Calculated Property
Cp,gas 735.91 J/mol×K 952.45 Joback Calculated Property
Cp,gas 745.73 J/mol×K 991.67 Joback Calculated Property
Cp,gas 754.39 J/mol×K 1030.89 Joback Calculated Property
Cp,gas 761.95 J/mol×K 1070.11 Joback Calculated Property
Cp,gas 768.47 J/mol×K 1109.33 Joback Calculated Property

Similar Compounds

Isophthalic acid, monoamide, N-(2-chlorophenyl)-, propyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, butyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, ethyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, octyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, isobutyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester. Isophthalic acid, monoamide, N-(3-methylphenyl)-, isobutyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, propyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, butyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, pentyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, octyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, nonyl ester.

Find more compounds similar to Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isobutyl ester.

Sources

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